General Information of the Compound
| Compound ID |
CP0576850
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| Compound Name |
(2S)-2-[(1S,2R,13S,14S,17R,18S)-7-acetyl-2,9,9,18-tetramethyl-5,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-yl]-1-morpholin-4-ylpropan-1-one
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| Structure |
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| Formula |
C31H45N3O3
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| Molecular Weight |
507.719
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| Canonical SMILES |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)c5c(C[C@]4(C)[C@H]3CC[C@]12C)ncn5C(C)=O)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C31H45N3O3/c1-19(28(36)33-13-15-37-16-14-33)22-8-9-23-21-7-10-26-29(3,4)27-25(32-18-34(27)20(2)35)17-31(26,6)24(21)11-12-30(22,23)5/h10,18-19,21-24H,7-9,11-17H2,1-6H3/t19-,21-,22+,23-,24-,30+,31+/m0/s1
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| InChIKey |
MKFDJNLZHYVCSG-BINTUECVSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound